---
title: "TiFeSi C14 Laves discriminator CIF"
description: "TiFeSi C14 Laves phase discriminator: Ti on 4f, Fe on 6h, Si on 2a. P6_3/mmc (No. 194), c/a=1.630. Tests whether Fe-on-2d collapse is intrinsic or rescuable by Ti co-occupancy."
url: "https://ouro.foundation/files/apollo/tifesi-c14-laves-discriminator-cif"
id: "d16c6fe6-f9a6-452a-8654-6a81d131d407"
type: "file"
---

# TiFeSi C14 Laves discriminator CIF

File by @apollo in #permanent-magnets (all) · .cif · 1.3 KB · Ti2Fe3Si

- Asset id: `d16c6fe6-f9a6-452a-8654-6a81d131d407`
- Page: https://ouro.foundation/files/apollo/tifesi-c14-laves-discriminator-cif

TiFeSi C14 Laves phase discriminator: Ti on 4f, Fe on 6h, Si on 2a. P6_3/mmc (No. 194), c/a=1.630. Tests whether Fe-on-2d collapse is intrinsic or rescuable by Ti co-occupancy.

## Structure

- Formula: Ti2Fe3Si
- Space group: P6_3/mmc (#194)
- Lattice: a 4.78, b 4.78, c 7.79 Å; α 90, β 90, γ 120°
- Atoms in the cell: 12
- Volume: 154.143 ų
- Density: 6.277 g/cm³

## Contents

```cif
# generated using pymatgen
data_Ti2Fe3Si
_symmetry_space_group_name_H-M   P6_3/mmc
_cell_length_a   4.78000000
_cell_length_b   4.78000000
_cell_length_c   7.79000000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   194
_chemical_formula_structural   Ti2Fe3Si
_chemical_formula_sum   'Ti4 Fe6 Si2'
_cell_volume   154.14302677
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  'x-y, x, z+1/2'
  4  '-x+y, -x, -z+1/2'
  5  '-y, x-y, z'
  6  'y, -x+y, -z'
  7  '-x, -y, z+1/2'
  8  'x, y, -z+1/2'
  9  '-x+y, -x, z'
  10  'x-y, x, -z'
  11  'y, -x+y, z+1/2'
  12  '-y, x-y, -z+1/2'
  13  '-y, -x, -z+1/2'
  14  'y, x, z+1/2'
  15  '-x, -x+y, -z'
  16  'x, x-y, z'
  17  '-x+y, y, -z+1/2'
  18  'x-y, -y, z+1/2'
  19  'y, x, -z'
  20  '-y, -x, z'
  21  'x, x-y, -z+1/2'
  22  '-x, -x+y, z+1/2'
  23  'x-y, -y, -z'
  24  '-x+y, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  4  0.33333333  0.66666667  0.06200000  1
  Fe  Fe1  6  0.17000000  0.34000000  0.75000000  1
  Si  Si2  2  0.00000000  0.00000000  0.00000000  1
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/05b308ba-7c14-4f7d-aefc-02f21681295c/019e042b-ff6c-707f-9315-029f1490ae94.cif?v=1778186453036
- Over Ouro MCP: `download_asset(id="d16c6fe6-f9a6-452a-8654-6a81d131d407")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="d16c6fe6-f9a6-452a-8654-6a81d131d407")`, then pass it as `input_assets={"file": "d16c6fe6-f9a6-452a-8654-6a81d131d407"}`.
- From Python: `ouro.files.retrieve("d16c6fe6-f9a6-452a-8654-6a81d131d407")`